Rosetta  2019.47
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Functions | Variables
iterhybrid_selector.cc File Reference
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/cm.OptionKeys.gen.hh>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/constraints/util.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/io/silent/silent.fwd.hh>
#include <core/io/silent/ProteinSilentStruct.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/SilentFileOptions.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <core/scoring/rms_util.hh>
#include <protocols/wum/SilentStructStore.hh>
#include <protocols/mpi_refinement/util.hh>
#include <protocols/mpi_refinement/MultiObjective.hh>
#include <core/types.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <utility/vector1.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/io/ozstream.hh>
#include <devel/init.hh>
#include <basic/Tracer.hh>
#include <cstdio>

Functions

void get_gremlin_d_and_width (std::string const &aa1, std::string const &aa2, core::Real &d0, core::Real &width)
 
bool check_silent_error (core::io::silent::SilentStructOP ss)
 
core::Size get_min_index (utility::vector1< core::Real > const &scores, utility::vector1< bool > const &redundant)
 
core::Real distance (core::io::silent::SilentStructCOP ss1, core::io::silent::SilentStructCOP ss2, std::string const &mode="Score", core::Real const dbase2=4.0)
 
core::Size check_redundant (core::Size iss, protocols::wum::SilentStructStore const &library_in, utility::vector1< bool > &redundant, core::Real const dcut)
 
void retag (protocols::wum::SilentStructStore &library_inout, std::string const &scorename)
 
protocols::wum::SilentStructStore read_library_simple (std::string const &silentfile)
 
protocols::wum::SilentStructStore read_library_w_simpose (std::string const &silentfile, core::pose::Pose const &pose0)
 
protocols::wum::SilentStructStore read_silent_input_as_library (std::string const &silentfile, core::pose::Pose const &pose0, utility::vector1< core::Real > &scores, core::Real const dcut_ref, std::string const &scorename, core::Size const keep_topn)
 
utility::vector1< core::Real > get_quota_per_silent (core::Size const nsilent, core::Size const nout)
 
protocols::wum::SilentStructStore energy_cluster (protocols::wum::SilentStructStore const &library_in, core::Size const npick, utility::vector1< core::Real > const &scores, core::Real const dcut_in, std::string const &scorename)
 
utility::vector1< std::pair
< core::Size, core::Size > > 
get_contact_list (core::pose::Pose const &pose, utility::vector1< std::pair< core::Real, core::Real > > &d0ws)
 
void get_contact_devs (core::pose::Pose const &pose, utility::vector1< std::pair< core::Size, core::Size > > const &contacts, utility::vector1< std::pair< core::Real, core::Real > > const &d0ws, utility::vector1< utility::vector1< core::Real > > &contact_devs)
 
void report_and_dump (protocols::wum::SilentStructStore const &library_inout, core::pose::Pose const &pose0, bool const dump_cst, bool const is_iterative_selection)
 
int main (int argc, char *argv[])
 

Variables

static basic::Tracer TR ("app.public.iterhybrid_selector")
 

Function Documentation

core::Size check_redundant ( core::Size  iss,
protocols::wum::SilentStructStore const &  library_in,
utility::vector1< bool > &  redundant,
core::Real const  dcut 
)
bool check_silent_error ( core::io::silent::SilentStructOP  ss)
core::Real distance ( core::io::silent::SilentStructCOP  ss1,
core::io::silent::SilentStructCOP  ss2,
std::string const &  mode = "Score",
core::Real const  dbase2 = 4.0 
)
protocols::wum::SilentStructStore energy_cluster ( protocols::wum::SilentStructStore const &  library_in,
core::Size const  npick,
utility::vector1< core::Real > const &  scores,
core::Real const  dcut_in,
std::string const &  scorename 
)
void get_contact_devs ( core::pose::Pose const &  pose,
utility::vector1< std::pair< core::Size, core::Size > > const &  contacts,
utility::vector1< std::pair< core::Real, core::Real > > const &  d0ws,
utility::vector1< utility::vector1< core::Real > > &  contact_devs 
)
utility::vector1< std::pair< core::Size, core::Size > > get_contact_list ( core::pose::Pose const &  pose,
utility::vector1< std::pair< core::Real, core::Real > > &  d0ws 
)
void get_gremlin_d_and_width ( std::string const &  aa1,
std::string const &  aa2,
core::Real &  d0,
core::Real &  width 
)
core::Size get_min_index ( utility::vector1< core::Real > const &  scores,
utility::vector1< bool > const &  redundant 
)
utility::vector1< core::Real > get_quota_per_silent ( core::Size const  nsilent,
core::Size const  nout 
)
int main ( int  argc,
char *  argv[] 
)
protocols::wum::SilentStructStore read_library_simple ( std::string const &  silentfile)
protocols::wum::SilentStructStore read_library_w_simpose ( std::string const &  silentfile,
core::pose::Pose const &  pose0 
)
protocols::wum::SilentStructStore read_silent_input_as_library ( std::string const &  silentfile,
core::pose::Pose const &  pose0,
utility::vector1< core::Real > &  scores,
core::Real const  dcut_ref,
std::string const &  scorename,
core::Size const  keep_topn 
)
void report_and_dump ( protocols::wum::SilentStructStore const &  library_inout,
core::pose::Pose const &  pose0,
bool const  dump_cst,
bool const  is_iterative_selection 
)
void retag ( protocols::wum::SilentStructStore &  library_inout,
std::string const &  scorename 
)

Variable Documentation

basic::Tracer TR("app.public.iterhybrid_selector")
static